| SpectraBase Compound ID | 90qSbkANDQO |
|---|---|
| InChI | InChI=1S/C15H19NO7/c1-2-21-14(17)4-3-5-15(18)23-11-10-22-13-8-6-12(7-9-13)16(19)20/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | MJXUKNBDJWQVPN-UHFFFAOYSA-N |
| Mol Weight | 325.32 g/mol |
| Molecular Formula | C15H19NO7 |
| Exact Mass | 325.116152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kZhS2SMq2f |
|---|---|
| Name | Glutaric acid, ethyl 2-(4-nitrophenoxy)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.116151949 u |
| Formula | C15H19NO7 |
| InChI | InChI=1S/C15H19NO7/c1-2-21-14(17)4-3-5-15(18)23-11-10-22-13-8-6-12(7-9-13)16(19)20/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | MJXUKNBDJWQVPN-UHFFFAOYSA-N |
| Molecular Weight | 325.317 g/mol |
| SMILES | C(OCCOC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCC)=O |